Dihydrogen Bonding in Aqueous NaBH4 Solutions by Polarized Neutron Diffraction
As an electron-rich ligand, borohydride (BH4) forms various dihydrogen-bonded complexes with protic donors that possess diverse chemical properties. It influences the structure, reactivity, and selectivity both in solution and in the solid state, and has great potential utility in catalysis, crystal engineering, and materials chemistry. In conventional neutron diffraction measurement for liquids containing many hydrogen atoms, the sample is substituted with deuterons neglecting the isotope effect. However, since the hydrogen bond is sensitive to deuterated substitution, polarized neutron diffraction for the solution without substitution should be performed to reveal more precise information of hydrogen bond in BH4 solution. The obtained structure data will be applied to empirical potential structure refinement (EPSR) modeling with X-ray diffraction data conducted previously. BH4- hydration forms, dihydrogen bonding number, and water molecular orientation, especially the dihydrogen bonding in aqueous NaBH4 solutions will be revealed. The concentration and temperature effects on dihydrogen bonding will be discussed.
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BELLISSENT FUNEL; Appavou; MANGIN-THRO Lucile; STUNAULT Anne and YOSHIDA Koji. (2020). Dihydrogen Bonding in Aqueous NaBH4 Solutions by Polarized Neutron Diffraction. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.6-02-603
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